SCHEMBL1114950

SCHEMBL1114950

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ MEP1B Q16820 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ACLY P53396 2/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDK2 Q15119 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1115268 0.91 TAS1R3 (0.39) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL117789 0.90 TAS1R3 (0.40) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL119198 0.89 ALDH1A1 (0.42) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL1115150 0.88 MEP1B (0.39) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL716664 0.88 TAS1R3 (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL29769728 0.87 KDM4E (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL679753 0.87 KDM4E (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL1397026 0.85 TAS1R3 (0.38) TAS1R3TAS1R1MEP1BALDH1A1ACLY
SCHEMBL11913395 0.85 TAS1R3 (0.36) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL1654712 0.84 MEP1B (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279178-B1 2-(substituted phenyl)-6-hydroxy- or alkoxy-5-substituted-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-05-20 — — EP claimed
EP-2279178-B1 2-(substituted phenyl)-6-hydroxy- or alkoxy-5-substituted-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-05-20 — — EP disclosed
EP-2279178-A1 2-(SUBSTITUTED PHENYL)-6-HYDROXY OR ALKOXY-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2011-02-02 — — EP disclosed
US-7833940-B2 2-(substituted phenyl)-6-hydroxy or alkoxy-5-substituted-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2010-11-16 — — US disclosed
US-20090264293-A1 2-(SUBSTITUTED PHENYL)-6-HYDROXY OR ALKOXY-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-10-22 — — US disclosed
WO-2009129291-A1 2-(SUBSTITUTED PHENYL)-6-HYDROXY OR ALKOXY-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-10-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264293-A1 2-(SUBSTITUTED PHENYL)-6-HYDROXY OR ALKOXY-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, HPD, DDC TAS1R3 1157/4885TAS1R1 2016/4885MEP1B 3459/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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